UCSF

ZINC34861332

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.06 3.47 -8.4 1 6 0 65 365.518 5
Mid Mid (pH 6-8) 2.06 5.74 -38.15 2 6 1 67 366.526 5
Mid Mid (pH 6-8) 1.87 8.04 -40.2 2 6 1 63 366.526 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )